7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine

C15H16FN5 — CID 164602600

IUPAC7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine
SMILESFc1ccc2c(c1)nn1cnc(NC3CCNCC3)cc21
InChIInChI=1S/C15H16FN5/c16-10-1-2-12-13(7-10)20-21-9-18-15(8-14(12)21)19-11-3-5-17-6-4-11/h1-2,7-9,11,17,19H,3-6H2
InChIKeyRKXZTRKPOCNZPZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.19
Rot. Bonds2

About 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine

7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine (PubChem CID 164602600) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine.

Molecular Properties

Compound Name7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine
PubChem CID164602600
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine
SMILESFc1ccc2c(c1)nn1cnc(NC3CCNCC3)cc21
InChIInChI=1S/C15H16FN5/c16-10-1-2-12-13(7-10)20-21-9-18-15(8-14(12)21)19-11-3-5-17-6-4-11/h1-2,7-9,11,17,19H,3-6H2
InChIKeyRKXZTRKPOCNZPZ-UHFFFAOYSA-N
XLogP2.19
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-(oxan-4-yl)pyrimido[1,6-b]indazol-3-amine
CID 164602573
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
N-piperidin-4-yl-4-[(Z)-prop-1-enyl]pyridin-2-amine
CID 145392617
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114698096

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine?
The IUPAC name of 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine (CID 164602600) is 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine.
What is the SMILES notation for 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine?
The canonical SMILES for 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine is Fc1ccc2c(c1)nn1cnc(NC3CCNCC3)cc21.
What is the InChIKey of 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine?
The InChIKey is RKXZTRKPOCNZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c16-10-1-2-12-13(7-10)20-21-9-18-15(8-14(12)21)19-11-3-5-17-6-4-11/h1-2,7-9,11,17,19H,3-6H2.
What are the key properties of 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine?
7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine has a molecular weight of 285.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-piperidin-4-ylpyrimido[1,6-b]indazol-3-amine is sourced from PubChem (CID 164602600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).